4-azanyl-2-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]isoindoline-1,3-quinone Formula: C16H13ClF3N4O2+ MolecularWeight: 385.74823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)N)C(=O)N(C2=O)CCNC3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)N)C(=O)N(C2=O)CCNC3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C16H12ClF3N4O2/c17-10-6-8(16(18,19)20)7-23-13(10)22-4-5-24-14(25)9-2-1-3-11(21)12(9)15(24)26/h1-3,6-7H,4-5,21H2,(H,22,23)/p+1